SCHEMBL19759271

SCHEMBL19759271

C=C(Nc1ccc(Cc2cc(-c3ccc(Br)cc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.59
CA2 P00918 7/20 0.59
CA9 Q16790 7/20 0.59
EPHX2 P34913 4/20 0.51
PTGS2 P35354 10/20 0.51
PDPK1 O15530 1/20 0.51
MAPK9 P45984 1/20 0.49
AKR1C3 P42330 1/20 0.48
PTGS1 P23219 2/20 0.48
MMP2 P08253 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15559114 0.91 CA1 (0.60) CA1CA2CA9EPHX2PTGS2
SCHEMBL15552223 0.88 CA1 (0.65) CA1CA2CA9EPHX2PTGS2
SCHEMBL15549889 0.81 CA1 (0.71) CA1CA2CA9PTGS2PDPK1
SCHEMBL16810167 0.80 CA1 (0.57) CA1CA2CA9EPHX2PTGS2
SCHEMBL19759267 0.80 PTGS2 (0.69) CA1CA2CA9PTGS2PDPK1
SCHEMBL15550607 0.79 CA1 (0.69) CA1CA2CA9PTGS2PDPK1
SCHEMBL19759270 0.78 CA1 (0.54) CA1CA2CA9EPHX2PTGS2
SCHEMBL19234874 0.78 CA1 (0.54) CA1CA2CA9EPHX2PTGS2
SCHEMBL19759268 0.77 PTGS2 (0.60) CA1CA2CA9EPHX2PTGS2
SCHEMBL15552398 0.77 PTGS2 (0.69) CA1CA2CA9EPHX2PTGS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180002290-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF STAT3 MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2018-01-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180002290-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF STAT3 STAT3, STAT6, JAK2 CA1 4137/4885CA2 3692/4885CA9 3507/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.